Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 16/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL196991 | 0.73 | CYP1A2 (0.35) | HTR2CHTR2BPNMTADRA2AADRA2B | |
| SCHEMBL11208796 | 0.64 | HTR2A (0.36) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL6905090 | 0.64 | — | — | |
| SCHEMBL11337914 | 0.61 | PNMT (0.39) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL2964206 | 0.61 | — | — | |
| SCHEMBL29442976 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL4855159 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL2233477 | 0.61 | — | — | |
| SCHEMBL4623560 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL2959012 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0374054-B1 | INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES OBTAINED, THEIR USE AS MEDICINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-10-06 | — | — | EP | disclosed |
| EP-0374054-A1 | Indane derivatives, process for their preparation and intermediates obtained, their use as medicines, and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1990-06-20 | — | — | EP | disclosed |
| EP-0001002-B1 | INDANAMINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1981-08-12 | — | — | EP | disclosed |
| EP-0001002-A1 | Indanamines, processes for their preparation and compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1979-03-07 | — | — | EP | disclosed |
| US-4128666-A | PHENYLETHANOLAMINE N-METHYL-TRANSFERASE INHIBITORS | SMITHKLINE CORPORATION (US) | 1978-12-05 | — | — | US | disclosed |